(4-heptylcyclohexyl) 4-cyano-4-(4-octylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-4-(4-octylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-4-(4-octylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(4-octylcyclohexyl)-1-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-4-(4-octylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(4-octylcyclohexyl)cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester Formula: C35H61NO2 MolecularWeight: 527.86434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2(CCC(CC2)C(=O)OC3CCC(CC3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2(CCC(CC2)C(=O)OC3CCC(CC3)CCCCCCC)C#N

InChI

InChI=1S/C35H61NO2/c1-3-5-7-9-11-13-14-29-16-20-32(21-17-29)35(28-36)26-24-31(25-27-35)34(37)38-33-22-18-30(19-23-33)15-12-10-8-6-4-2/h29-33H,3-27H2,1-2H3